3-cyclopropyl-6-(3-fluoro-4-methylphenyl)-N-[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide

C27H26F2N4O3 — CID 163972038

IUPAC3-cyclopropyl-6-(3-fluoro-4-methylphenyl)-N-[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCc1ccc(-c2cn3nc(C(=O)N[C@@H](c4ccc(F)cc4)C(C)(C)O)c(C4CC4)c3c(=O)[nH]2)cc1F
InChIInChI=1S/C27H26F2N4O3/c1-14-4-5-17(12-19(14)29)20-13-33-23(26(35)30-20)21(15-6-7-15)22(32-33)25(34)31-24(27(2,3)36)16-8-10-18(28)11-9-16/h4-5,8-13,15,24,36H,6-7H2,1-3H3,(H,30,35)(H,31,34)/t24-/m0/s1
InChIKeySQUZITXRCPCRNY-DEOSSOPVSA-N
MW492.53 g/mol
LogP4.40
Rot. Bonds6

About 3-cyclopropyl-6-(3-fluoro-4-methylphenyl)-N-[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide

3-cyclopropyl-6-(3-fluoro-4-methylphenyl)-N-[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 163972038) has the molecular formula C27H26F2N4O3 and a molecular weight of 492.53 g/mol. Its IUPAC name is 3-cyclopropyl-6-(3-fluoro-4-methylphenyl)-N-[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-6-(3-fluoro-4-methylphenyl)-N-[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID163972038
Molecular FormulaC27H26F2N4O3
Molecular Weight492.53 g/mol
Exact Mass492.20
IUPAC Name3-cyclopropyl-6-(3-fluoro-4-methylphenyl)-N-[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCc1ccc(-c2cn3nc(C(=O)N[C@@H](c4ccc(F)cc4)C(C)(C)O)c(C4CC4)c3c(=O)[nH]2)cc1F
InChIInChI=1S/C27H26F2N4O3/c1-14-4-5-17(12-19(14)29)20-13-33-23(26(35)30-20)21(15-6-7-15)22(32-33)25(34)31-24(27(2,3)36)16-8-10-18(28)11-9-16/h4-5,8-13,15,24,36H,6-7H2,1-3H3,(H,30,35)(H,31,34)/t24-/m0/s1
InChIKeySQUZITXRCPCRNY-DEOSSOPVSA-N
XLogP4.40
TPSA99.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.53
LogP ≤ 54.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-(3-fluoro-4-methylphenyl)-N-[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of 3-cyclopropyl-6-(3-fluoro-4-methylphenyl)-N-[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide (CID 163972038) is 3-cyclopropyl-6-(3-fluoro-4-methylphenyl)-N-[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for 3-cyclopropyl-6-(3-fluoro-4-methylphenyl)-N-[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for 3-cyclopropyl-6-(3-fluoro-4-methylphenyl)-N-[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide is Cc1ccc(-c2cn3nc(C(=O)N[C@@H](c4ccc(F)cc4)C(C)(C)O)c(C4CC4)c3c(=O)[nH]2)cc1F.
What is the InChIKey of 3-cyclopropyl-6-(3-fluoro-4-methylphenyl)-N-[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is SQUZITXRCPCRNY-DEOSSOPVSA-N. The full InChI is InChI=1S/C27H26F2N4O3/c1-14-4-5-17(12-19(14)29)20-13-33-23(26(35)30-20)21(15-6-7-15)22(32-33)25(34)31-24(27(2,3)36)16-8-10-18(28)11-9-16/h4-5,8-13,15,24,36H,6-7H2,1-3H3,(H,30,35)(H,31,34)/t24-/m0/s1.
What are the key properties of 3-cyclopropyl-6-(3-fluoro-4-methylphenyl)-N-[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
3-cyclopropyl-6-(3-fluoro-4-methylphenyl)-N-[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 492.53 g/mol, XLogP of 4.40, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-(3-fluoro-4-methylphenyl)-N-[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 163972038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).